Li3SbS4

Li3SbS4 is a stable, semiconducting lithium-antimony sulfide used primarily in materials research for electrochemical applications.

LiSSb
Crystal structure of Li3SbS4
Ground-state structure · Materials Project
Overview

About Li3SbS4

Li3SbS4 is a semiconducting ternary sulfide that maintains a position on the thermodynamic convex hull, indicating significant structural stability. This compound is characterized by its complex crystalline arrangements, with numerous reported structures highlighting its versatility in solid-state chemistry.

As a lithium-containing sulfide, it is of particular interest to researchers investigating advanced ionic conductors and battery materials. Its stable electronic profile makes it a compelling candidate for further exploration in the development of next-generation electrochemical devices.

At a glance

Key Properties

Cross-validated computational properties for Li3SbS4, aggregated across 3 databases.

Band Gap

0.80–2.68 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

29
3 databases, 6 space groups
Uses

Applications

Where Li3SbS4 is used.

Solid-state electrolyte researchLithium-ion battery component developmentAdvanced materials science exploration
Reference

Frequently Asked Questions

Common questions about Li3SbS4, answered from cross-validated data.

What is Li3SbS4?

Li3SbS4 is a stable, semiconducting lithium-antimony sulfide used primarily in materials research for electrochemical applications.

More questions
What is Li3SbS4 used for?
Li3SbS4 is used in solid-state electrolyte research, lithium-ion battery component development, and advanced materials science exploration.
What is the band gap of Li3SbS4?
Li3SbS4 has a DFT-computed band gap of 0.80–2.68 eV across 29 reported structures.
Is Li3SbS4 a metal, semiconductor, or insulator?
With a band gap up to 2.68 eV it is a semiconductor.
Is Li3SbS4 thermodynamically stable?
Yes — Li3SbS4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3SbS4 are known?
29 structures of Li3SbS4 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Li3SbS4 contain?
Li3SbS4 contains Li, S, and Sb (3 elements).
Where does the data for Li3SbS4 come from?
Li3SbS4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct member of the lithium-antimony-sulfide family, Li3SbS4 serves as a foundational reference point for understanding the stability and electronic behavior of complex sulfides. It represents a robust structural archetype that informs the design and synthesis of related ternary and quaternary chalcogenide systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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